SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKW_B_DR7B100_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  84
ASP A  83
GLY A 207
ALA A 331
ILE A 257
 None
 0.97A 3ekwA-1bucA:
undetectable		 3ekwA-1bucA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF01012
(ETF) 		5 ALA B 109
ILE B  59
ILE B  63
ALA B 119
ILE B 117
 None
None
AMP  A 400 (-4.2A)
AMP  A 400 (-3.3A)
None
 0.91A 3ekwA-1efpB:
undetectable		 3ekwA-1efpB:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		6 ARG B  22
ALA B 515
ILE B 507
PRO B 541
ALA B 535
ILE B 534
 None
 1.42A 3ekwA-1ffvB:
undetectable		 3ekwA-1ffvB:
9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 ALA A  72
ILE A 150
GLY A 153
ALA A 112
ILE A 104
 None
SF4  A1027 (-3.8A)
SF4  A1026 ( 3.9A)
None
None
 0.98A 3ekwA-1h7wA:
undetectable		 3ekwA-1h7wA:
7.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 ASP A 114
GLY A 108
ILE A  59
ALA A  65
ILE A  66
 None
 0.95A 3ekwA-1hcuA:
undetectable		 3ekwA-1hcuA:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hf2 SEPTUM
SITE-DETERMINING
PROTEIN MINC

(Thermotoga
maritima) 		PF03775
(MinC_C) 		5 ALA A 144
ILE A 108
ILE A 121
ALA A 150
ILE A 148
 None
 1.02A 3ekwA-1hf2A:
undetectable		 3ekwA-1hf2A:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.66A 3ekwA-1hvcA:
14.1		 3ekwA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.40A 3ekwA-1hvcA:
14.1		 3ekwA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.67A 3ekwA-1hvcA:
14.1		 3ekwA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.96A 3ekwA-1hvcA:
14.1		 3ekwA-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 ARG A 215
ALA A  21
ILE A 196
ALA A 206
ILE A  49
 None
 0.98A 3ekwA-1hyqA:
undetectable		 3ekwA-1hyqA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 ALA A 191
ILE A 214
GLY A 194
ALA A 202
ILE A 203
 None
PO4  A1002 (-4.4A)
PO4  A1002 (-3.5A)
None
None
 1.02A 3ekwA-1ixpA:
undetectable		 3ekwA-1ixpA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1los OROTIDINE
MONOPHOSPHATE
DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF00215
(OMPdecase) 		5 ALA A 198
ASP A 197
GLY A 156
ALA A  18
ILE A  16
 None
None
None
UP6  A5001 (-3.7A)
None
 0.99A 3ekwA-1losA:
undetectable		 3ekwA-1losA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		6 ARG A 349
ALA A 490
GLY A 469
ILE A 473
ALA A 352
ILE A 351
 None
 1.48A 3ekwA-1rh1A:
undetectable		 3ekwA-1rh1A:
11.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rif DNA HELICASE UVSW

(Escherichia
virus T4) 		PF04851
(ResIII) 		5 ALA A 174
ILE A 162
GLY A 210
ALA A 205
ILE A 188
 None
 1.00A 3ekwA-1rifA:
undetectable		 3ekwA-1rifA:
16.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 1.04A 3ekwA-1sivA:
18.8		 3ekwA-1sivA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.57A 3ekwA-1sivA:
18.8		 3ekwA-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.92A 3ekwA-1to6A:
undetectable		 3ekwA-1to6A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 665
ASP A 664
ILE A 661
GLY A 690
ILE A 668
 None
 1.03A 3ekwA-1u1hA:
undetectable		 3ekwA-1u1hA:
8.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zaw 50S RIBOSOMAL
PROTEIN L10

(Thermotoga
maritima) 		PF00466
(Ribosomal_L10) 		5 ALA A  27
GLY A 116
ILE A  24
ALA A  95
ILE A  99
 None
 0.99A 3ekwA-1zawA:
undetectable		 3ekwA-1zawA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.51A 3ekwA-2fmbA:
15.0		 3ekwA-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.79A 3ekwA-2fmbA:
15.0		 3ekwA-2fmbA:
31.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 ALA A 509
ILE A 456
GLY A 430
ALA A 450
ILE A 100
 None
 0.97A 3ekwA-2gq3A:
undetectable		 3ekwA-2gq3A:
9.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvl DIACYLGLYCEROL
KINASE DGKB

(Staphylococcus
aureus) 		PF00781
(DAGK_cat) 		5 ASP A 290
GLY A  88
ILE A  63
ALA A  51
ILE A  78
 None
 0.99A 3ekwA-2qvlA:
undetectable		 3ekwA-2qvlA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rb9 HYPE PROTEIN

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A  81
ILE A  90
GLY A 151
ALA A 126
ILE A 125
 None
 0.99A 3ekwA-2rb9A:
undetectable		 3ekwA-2rb9A:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.37A 3ekwA-2rkfA:
20.8		 3ekwA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 1.47A 3ekwA-2rkfA:
20.8		 3ekwA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.85A 3ekwA-2rkfA:
20.8		 3ekwA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 0.90A 3ekwA-2rspA:
12.8		 3ekwA-2rspA:
31.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		5 ILE A 212
GLY A 293
ILE A 251
PRO A 215
ALA A 216
 None
 1.01A 3ekwA-2w48A:
undetectable		 3ekwA-2w48A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 636
GLY A 662
ILE A 665
ALA A 608
ILE A 612
 None
 0.96A 3ekwA-2waeA:
undetectable		 3ekwA-2waeA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ARG A 624
ALA A 610
ASP A 611
ILE A 534
ILE A 613
 SO4  A 999 (-2.9A)
None
None
None
None
 0.99A 3ekwA-2wjvA:
undetectable		 3ekwA-2wjvA:
7.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yop PROTEIN FAM3B

(Mus musculus) 		PF15711
(ILEI) 		5 ALA A 170
ASP A 169
ILE A 179
GLY A 175
ILE A 142
 None
 1.00A 3ekwA-2yopA:
undetectable		 3ekwA-2yopA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		5 ASP B 138
ALA B 141
ILE B 484
ALA B 133
ILE B 134
 None
 1.00A 3ekwA-3aq1B:
undetectable		 3ekwA-3aq1B:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bf2 PUTATIVE LIPOPROTEIN

(Neisseria
meningitidis) 		PF04390
(LptE) 		5 ALA A  99
ILE A  37
GLY A  40
ALA A 145
ILE A 149
 None
 1.00A 3ekwA-3bf2A:
undetectable		 3ekwA-3bf2A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		5 ALA A  45
GLY A  39
ILE A 187
ALA A  58
ILE A  34
 None
POP  A4001 (-3.3A)
None
None
None
 1.00A 3ekwA-3fiuA:
undetectable		 3ekwA-3fiuA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 ALA A  99
ILE A  75
GLY A 102
ILE A 118
ILE A  15
 None
 0.83A 3ekwA-3fkjA:
undetectable		 3ekwA-3fkjA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		6 ALA A 159
ILE A 146
GLY A 164
ILE A 166
ALA A  72
ILE A  76
 None
 1.20A 3ekwA-3gl1A:
undetectable		 3ekwA-3gl1A:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.95A 3ekwA-3i5gA:
undetectable		 3ekwA-3i5gA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 247
ASP A 244
ILE A 281
ALA A 257
ILE A 256
 None
K  A 364 (-3.9A)
None
None
None
 0.98A 3ekwA-3ik4A:
undetectable		 3ekwA-3ik4A:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ASP A 424
ILE A 620
GLY A 277
PRO A 624
ALA A 625
 None
 0.89A 3ekwA-3j09A:
undetectable		 3ekwA-3j09A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k20 OXIDOREDUCTASE

(Corynebacterium
diphtheriae) 		PF03358
(FMN_red) 		5 ALA A 148
GLY A 145
ILE A 113
ALA A  21
ILE A  20
 None
 0.91A 3ekwA-3k20A:
undetectable		 3ekwA-3k20A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 ALA A 344
ILE A 291
ILE A 326
ALA A 311
ILE A 310
 None
 1.03A 3ekwA-3k9dA:
undetectable		 3ekwA-3k9dA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 ALA A 232
GLY A 307
ILE A 308
ALA A 301
ILE A 260
 None
 1.02A 3ekwA-3kehA:
undetectable		 3ekwA-3kehA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		5 ALA A  64
ILE A 262
GLY A 260
ILE A 259
ALA A 294
 None
 0.80A 3ekwA-3lezA:
undetectable		 3ekwA-3lezA:
15.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ALA A  28
ILE A  47
PRO A  81
 None
 0.69A 3ekwA-3mwsA:
19.9		 3ekwA-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.92A 3ekwA-3mwsA:
19.9		 3ekwA-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.37A 3ekwA-3mwsA:
19.9		 3ekwA-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 1.26A 3ekwA-3mwsA:
19.9		 3ekwA-3mwsA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ALA A 222
ILE A 269
GLY A 267
ILE A 266
ALA A 160
 None
 0.93A 3ekwA-3nvlA:
undetectable		 3ekwA-3nvlA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oev PROTEASOME COMPONENT
C1

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA F 201
ASP F 204
GLY F 166
ALA F  49
ILE F 197
 None
 0.92A 3ekwA-3oevF:
undetectable		 3ekwA-3oevF:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rp7 FLAVOPROTEIN
MONOOXYGENASE

(Klebsiella
pneumoniae) 		PF01494
(FAD_binding_3) 		5 ALA A  15
ILE A  24
GLY A 309
ALA A 281
ILE A 151
 None
 1.00A 3ekwA-3rp7A:
undetectable		 3ekwA-3rp7A:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 311
ILE A 360
GLY A 306
ALA A 105
ILE A 108
 None
 0.96A 3ekwA-3sjnA:
undetectable		 3ekwA-3sjnA:
14.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ALA A  82
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
SO4  A 101 (-3.5A)
 0.81A 3ekwA-3t3cA:
18.6		 3ekwA-3t3cA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfo PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 ALA A  35
GLY A  17
ILE A  20
ALA A  45
ILE A  41
 None
 1.03A 3ekwA-3tfoA:
undetectable		 3ekwA-3tfoA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsn 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Campylobacter
jejuni) 		PF04166
(PdxA) 		5 ALA A  44
ILE A   8
GLY A  15
ILE A  14
ILE A  96
 None
 1.00A 3ekwA-3tsnA:
undetectable		 3ekwA-3tsnA:
12.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 3ekwA-3ttpA:
19.3		 3ekwA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.47A 3ekwA-3ttpA:
19.3		 3ekwA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-4.7A)
 0.77A 3ekwA-3ttpA:
19.3		 3ekwA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.65A 3ekwA-3u7sA:
19.7		 3ekwA-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 1.36A 3ekwA-3u7sA:
19.7		 3ekwA-3u7sA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwv STOMATIN OPERON
PARTNER PROTEIN

(Pyrococcus
horikoshii) 		PF01957
(NfeD) 		5 ARG A 406
ILE A 383
GLY A 381
ILE A 380
ALA A 405
 None
 0.98A 3ekwA-3wwvA:
undetectable		 3ekwA-3wwvA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA G 202
ASP G 205
GLY G 165
ALA G  48
ILE G 199
 None
 1.00A 3ekwA-3wxrG:
undetectable		 3ekwA-3wxrG:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A  21
ASP A 107
ILE A 105
ILE A 183
ALA A  97
 None
 0.95A 3ekwA-3wxyA:
undetectable		 3ekwA-3wxyA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		5 ASP A  57
ALA A  90
GLY A  96
ALA A  62
ILE A  56
 None
 0.92A 3ekwA-3zreA:
undetectable		 3ekwA-3zreA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.90A 3ekwA-4c3yA:
undetectable		 3ekwA-4c3yA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		6 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ALA A 196
ILE A 220
 None
 1.29A 3ekwA-4db1A:
undetectable		 3ekwA-4db1A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		5 ALA A 514
ILE A 461
GLY A 435
ALA A 455
ILE A 100
 None
 0.98A 3ekwA-4ex4A:
undetectable		 3ekwA-4ex4A:
9.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A  60
ILE A  18
GLY A  55
ILE A  54
ILE A 178
 None
 0.87A 3ekwA-4hkmA:
undetectable		 3ekwA-4hkmA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ARG A 234
GLY A 158
PRO A 188
ALA A 183
ILE A 191
 None
 0.95A 3ekwA-4iglA:
undetectable		 3ekwA-4iglA:
5.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		6 ALA A 157
ILE A 144
GLY A 162
ILE A 164
ALA A  70
ILE A  74
 None
 1.16A 3ekwA-4j8fA:
undetectable		 3ekwA-4j8fA:
13.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 3ekwA-4njvA:
20.3		 3ekwA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.84A 3ekwA-4njvA:
20.3		 3ekwA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.38A 3ekwA-4njvA:
20.3		 3ekwA-4njvA:
86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tu3 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 ALA A 105
ILE A 156
ILE A 100
ALA A 254
ILE A 331
 None
 1.03A 3ekwA-4tu3A:
undetectable		 3ekwA-4tu3A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 0.93A 3ekwA-4xvoA:
undetectable		 3ekwA-4xvoA:
18.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
ASP A  32
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.61A 3ekwA-4ydfA:
12.9		 3ekwA-4ydfA:
32.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 330
GLY A 352
ILE A 368
ALA A   3
ILE A   4
 None
 1.02A 3ekwA-4yzoA:
undetectable		 3ekwA-4yzoA:
14.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.20A 3ekwA-5b18A:
18.2		 3ekwA-5b18A:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c04 PUTATIVE
PEROXIREDOXIN MT2298

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 ALA A 130
GLY A 105
PRO A   9
ALA A   8
ILE A 127
 None
 0.95A 3ekwA-5c04A:
undetectable		 3ekwA-5c04A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 ALA A 106
ILE A 195
ILE A 180
ALA A 172
ILE A 173
 None
 0.92A 3ekwA-5ctmA:
undetectable		 3ekwA-5ctmA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwe CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 ALA A  56
GLY A 340
ILE A 341
ALA A 283
ILE A 307
 None
None
None
HEM  A 403 ( 3.7A)
None
 0.97A 3ekwA-5cweA:
undetectable		 3ekwA-5cweA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		6 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
ILE A 116
 None
 1.32A 3ekwA-5d01A:
undetectable		 3ekwA-5d01A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ILE A 106
GLY A 232
ILE A 236
ALA A 207
ILE A 208
 None
 1.01A 3ekwA-5dmhA:
undetectable		 3ekwA-5dmhA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ARG A 108
ALA A  67
ILE A  60
ALA A 127
ILE A 128
 None
 1.00A 3ekwA-5hm5A:
undetectable		 3ekwA-5hm5A:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ALA A 392
ILE A 344
GLY A 385
ILE A 386
ILE A 159
 None
 0.87A 3ekwA-5nvaA:
undetectable		 3ekwA-5nvaA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.41A 3ekwA-5t2zA:
20.0		 3ekwA-5t2zA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 1.41A 3ekwA-5t2zA:
20.0		 3ekwA-5t2zA:
81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 550
GLY A 533
ILE A 522
ALA A 578
ILE A 560
 None
 0.94A 3ekwA-5u25A:
undetectable		 3ekwA-5u25A:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASP A 168
ILE A 165
ILE A 271
ALA A 193
ILE A 192
 BDF  A 503 (-3.0A)
None
None
None
None
 0.93A 3ekwA-5vdnA:
undetectable		 3ekwA-5vdnA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 5 ALA A 400
ASP A 401
ILE A 373
ALA A 311
ILE A 378
 None
 1.03A 3ekwA-5xj1A:
undetectable		 3ekwA-5xj1A:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zba -

(-) 		no annotation 5 ALA B  16
ILE B 139
ILE B 135
PRO B  79
ALA B  78
 None
 0.94A 3ekwA-5zbaB:
undetectable		 3ekwA-5zbaB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 ALA A 513
ILE A 460
GLY A 434
ALA A 454
ILE A 100
 None
 0.98A 3ekwA-6axeA:
undetectable		 3ekwA-6axeA:
9.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bma INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Campylobacter
jejuni) 		no annotation 5 ALA A 237
ASP A 236
ILE A 184
GLY A 186
ILE A  54
 None
 0.87A 3ekwA-6bmaA:
undetectable		 3ekwA-6bmaA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et5 LIGHT-HARVESTING
PROTEIN B-1015 BETA
CHAIN
LIGHT-HARVESTING
PROTEIN B-1015 GAMMA
CHAIN

(Blastochloris
viridis) 		no annotation 5 ILE 2  23
GLY 2  25
ILE 2  29
ALA 1  31
ILE 1  35
 BCB  z 101 (-3.7A)
None
None
None
None
 0.92A 3ekwA-6et52:
undetectable		 3ekwA-6et52:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
ASP A  30
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.35A 3ekwA-6fivA:
15.3		 3ekwA-6fivA:
29.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fsa -

(-) 		no annotation 6 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ALA A 196
ILE A 220
 None
 1.30A 3ekwA-6fsaA:
undetectable		 3ekwA-6fsaA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.95A 3ekwA-6upjA:
17.9		 3ekwA-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 1.03A 3ekwA-6upjA:
17.9		 3ekwA-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 1.40A 3ekwA-6upjA:
17.9		 3ekwA-6upjA:
47.47